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4-dimethyl ionone
General Material Information
| Preferred name | 4-dimethyl ionone |
| Trivial Name | 4-Methyl-1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-1-penten-3-one |
| Short Description | 5-(2,6,6-trimethyl-2-cyclohexen-1-yl)-2-methyl-4-penten-3-one |
| Formula | C15 H24 O |
| CAS Number | 68459-99-4 |
| ECHA Number | 270-623-2 |
| FDA UNII | Search |
| Nikkaji Number | J310.558J |
| xLogP3-AA | 4.00 (est) |
| NMR Predictor | External link |
| Synonyms |
|
US / EU / FDA / JECFA / FEMA / Scholar / Patents
| Google Scholar | Start search |
| Google Books | Start search |
| Google Patents | Start search |
| Perfumer & Flavorists | Start search |
| EU Patents | Start search |
| PubMeb | Start search |
| NCBI | Start search |
Other Information
| (IUPAC): | Atomic Weights of the Elements 2011 (pdf) |
| Videos: | The Periodic Table of Videos |
| tgsc: | Atomic Weights use for this web site |
| (IUPAC): | Periodic Table of the Elements |
| HMDB (The Human Metabolome Database): | Search |
| Export Tariff Code: | 2914.23.0000 |
| ChemSpider: | View |
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 220.35548400879 |
| Boiling Point | 296 to 298°C @ 760 mm Hg |
| Vapor Pressure | 0.001 mmHg @ 25 °C |
| Flash Point TCC Value | 128.8 °C TCC |
| logP (o/w) | 4.523 est |
| Solubility | |
| alcohol | Yes |
| water, 1.236 mg/L @ 25 °C (est) | Yes |
| water | No |
Organoleptic Properties
| Odor Type: Floral | |
| sweet, floral, violet, woody | |
| Odor strength | medium |
| Substantivity | 128 hour(s) at 100.00 % |
| General comment | At 100.00 %. sweet floral violet woody |
Potential Uses
| Applications | |
| Odor purposes | Violet , Woody |
| Cosmetic purposes | Perfuming agents |
Safety Information
Safety information
| European information : | |
| Most important hazard(s): | |
| Xi - Irritant | |
| R 36/37/38 - Irritating to eyes, respiratory system, and skin. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36 - Wear suitable protective clothing. | |
| Hazards identification | |
| Classification of the substance or mixture | |
| GHS Classification in accordance with 29 CFR 1910 (OSHA HCS) | |
| None found. | |
| GHS Label elements, including precautionary statements | |
| Pictogram | |
| Hazard statement(s) | |
| None found. | |
| Precautionary statement(s) | |
| None found. | |
| Oral/Parenteral Toxicity: | |
| Not determined | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in use information
| Category: | |||
| fragrance agents | |||
| RIFM Fragrance Material Safety Assessment: Search | |||
| IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice | |||
| IFRA Other Specification: | |||
| Recommendation for 4-dimethyl ionone usage levels up to: | |||
| 4.0000 % in the fragrance concentrate. | |||
| Recommendation for 4-dimethyl ionone flavor usage levels up to: | |||
| not for flavor use. | |||
Safety references
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):68459-99-4 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :5376281 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:2 |
| (E)-4-methyl-1-(2,6,6-trimethylcyclohex-2-en-1-yl)pent-1-en-3-one |
| Chemidplus:0068459994 |